2HZE

Crystal structures of a poxviral glutaredoxin in the oxidized and reduced states show redox-correlated structural changes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-09-23
Detector	ADSC QUANTUM 210
Wavelength(s)	1.1
Spacegroup name	C 2 2 21
Unit cell lengths	62.627, 66.668, 108.096
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.540 - 1.800
R-factor	0.18679
Rwork	0.186
R-free	0.20804
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kte
RMSD bond length	0.021
RMSD bond angle	1.906
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Refinement software	REFMAC (5.2.0001)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.070	1.870
High resolution limit [Å]	1.800	1.800
Number of reflections	21297
Completeness [%]	99.6	97.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.6	295	0.1 M NaCacodylate pH 5.2, 12.5% MPD, 10 mM Tris pH 8.0, 50 mM NaCl. Cryo solution containing 0.1 M NaCacodylate pH 5.2, 40% MPD and 50 mM GSH added 5 minutes before flash-freezing., pH 3.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K